Geometry & MOs

Info

ID:	185525
PubChem CID:	77310301
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	487.10118
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	0.91
IP(EA), eV:	-9.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[5-chloro-2-fluoro-4-[5-[2-(propan-2-ylamino)pyridin-4-yl]-1,3,4-thiadiazol-2-yl]phenoxy]butan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)O

DOS

IR

Vibrations